2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide

C18H21Cl2NO — CID 3436472

IUPAC2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H21Cl2NO/c19-14-4-15(20)6-16(5-14)21-17(22)10-18-7-11-1-12(8-18)3-13(2-11)9-18/h4-6,11-13H,1-3,7-10H2,(H,21,22)
InChIKeyCBQJWZHILNHBAX-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.54
Rot. Bonds3

About 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide

2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 3436472) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
PubChem CID3436472
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H21Cl2NO/c19-14-4-15(20)6-16(5-14)21-17(22)10-18-7-11-1-12(8-18)3-13(2-11)9-18/h4-6,11-13H,1-3,7-10H2,(H,21,22)
InChIKeyCBQJWZHILNHBAX-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 3621040
N-[4-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,4-dichlorobenzamide
CID 4032449
N-[3-[[2-(1-adamantyl)acetyl]amino]-4-chlorophenyl]propanamide
CID 3357853
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
N'-[2-(1-adamantyl)acetyl]-4-chloro-1H-pyrrole-2-carbohydrazide
CID 35766957
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007
2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 2741139
2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2874506
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide (CID 3436472) is 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is CBQJWZHILNHBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c19-14-4-15(20)6-16(5-14)21-17(22)10-18-7-11-1-12(8-18)3-13(2-11)9-18/h4-6,11-13H,1-3,7-10H2,(H,21,22).
What are the key properties of 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide?
2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 338.28 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 3436472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).